Cas no 101478-12-0 (Cyanamide,(4,6-diethyl-2-pyrimidinyl)- (9CI))
101478-12-0 structure
Product Name:Cyanamide,(4,6-diethyl-2-pyrimidinyl)- (9CI)
CAS No:101478-12-0
MF:C9H12N4
MW:176.21838092804
CID:148222
PubChem ID:180978
Update Time:2025-04-19
Cyanamide,(4,6-diethyl-2-pyrimidinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyanamide,(4,6-diethyl-2-pyrimidinyl)- (9CI)
- (4,6-diethylpyrimidin-2-yl)cyanamide
- DTXSID40143945
- (4,6-Diethyl-2-pyrimidinyl)cyanamide
- 101478-12-0
- Cyanamide, (4,6-diethyl-2-pyrimidinyl)-
- DTXCID2066436
-
- Inchi： 1S/C9H12N4/c1-3-7-5-8(4-2)13-9(12-7)11-6-10/h5H,3-4H2,1-2H3,(H,11,12,13)
- InChI Key： NTKMPIDWDSRUMW-UHFFFAOYSA-N
- SMILES： N1C(NC#N)=NC(=CC=1CC)CC
Computed Properties
- Exact Mass: 176.10636
- Monoisotopic Mass: 176.106196400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 183
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.6
Cyanamide,(4,6-diethyl-2-pyrimidinyl)- (9CI) Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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